methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate

C10H15N3O3 — CID 138110241

IUPACmethyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)cnn1C
InChIInChI=1S/C10H15N3O3/c1-12-9(10(14)15-2)8(7-11-12)13-3-5-16-6-4-13/h7H,3-6H2,1-2H3
InChIKeySDXJRWPOPNFLDJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds2

About methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate

methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate (PubChem CID 138110241) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate
PubChem CID138110241
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)cnn1C
InChIInChI=1S/C10H15N3O3/c1-12-9(10(14)15-2)8(7-11-12)13-3-5-16-6-4-13/h7H,3-6H2,1-2H3
InChIKeySDXJRWPOPNFLDJ-UHFFFAOYSA-N
XLogP0.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3aR,4S,7S,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-1-methylpyrazole-5-carboxylate
CID 98222304
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
1-methyl-4-piperidin-1-ylpyrazole-5-carbonyl chloride
CID 88541476
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate (CID 138110241) is methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate is COC(=O)c1c(N2CCOCC2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate?
The InChIKey is SDXJRWPOPNFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-9(10(14)15-2)8(7-11-12)13-3-5-16-6-4-13/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate?
methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate is sourced from PubChem (CID 138110241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).